SCHEMBL7754801

SCHEMBL7754801

CCOC(=O)C(Cc1ccc(O)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.66
MMP7 P09237 1/20 0.52
ITGB3 P05106 7/20 0.51
ITGAV P06756 7/20 0.51
ITGA2B P08514 7/20 0.51
NPSR1 Q6W5P4 2/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP13 P45452 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
MAPT P10636 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3924110 1.00 BACE1 (0.66) BACE1MMP7ITGB3ITGAVITGA2B
SCHEMBL6774068 0.81 BACE1 (0.67) BACE1MMP2MMP9MAPT
SCHEMBL3927017 0.80 BACE1 (0.76) BACE1
SCHEMBL10914560 0.79 BACE1 (0.71) BACE1ITGB3ITGA2BMMP2MMP9
SCHEMBL3926872 0.79 BACE1 (0.71) BACE1ITGB3ITGA2BMMP2MMP9
SCHEMBL3924475 0.78 BACE1 (0.73) BACE1MMP7MMP1MMP2MMP9
SCHEMBL6415370 0.78 BACE1 (0.56) BACE1NPSR1CA1CA2L3MBTL1
SCHEMBL6029029 0.78 ITGB3 (0.54) MMP7ITGB3ITGAVITGA2BNPSR1
SCHEMBL3936334 0.77 BACE1 (0.68) BACE1NPSR1MMP2MMP9L3MBTL1
SCHEMBL3923618 0.77 BACE1 (0.68) BACE1MMP7MMP1MMP2MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076557-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-21 EP claimed
WO-1999055324-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
EP-1076557-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-21 EP disclosed
WO-1999055324-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed